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CHEBI:203535 - Muraymycin B5

ChEBI IDCHEBI:203535
ChEBI NameMuraymycin B5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H77N11O18
Net Charge0
Average Mass1072.181
Monoisotopic Mass1071.54480
SMILESCC(C)CCCCCC(=O)O[C@@H](C(C)C)[C@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C46H77N11O18/c1-20(2)11-8-7-9-12-26(59)73-35(22(5)6)29(54-39(65)28(23-13-17-51-44(48)52-23)56-45(70)55-27(21(3)4)41(66)67)38(64)50-16-10-15-49-30(42(68)69)36(75-43-34(63)31(60)24(19-47)72-43)37-32(61)33(62)40(74-37)57-18-14-25(58)53-46(57)71/h14,18,20-24,27-37,40,43,49,60-63H,7-13,15-17,19,47H2,1-6H3,(H,50,64)(H,54,65)(H,66,67)(H,68,69)(H3,48,51,52)(H,53,58,71)(H2,55,56,70)/t23-,24+,27-,28-,29-,30-,31+,32-,33+,34+,35-,36-,37-,40+,43-/m0/s1
InChIKeyKBHDQLSLVZLPRC-VPCIQXBHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (12197711)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Muraymycin B5 (CHEBI:203535) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(1S)-2-[[(2S,3S)-1-[3-[[(1S,2S)-2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino]propylamino]-4-methyl-3-(7-methyloctanoyloxy)-1-oxopentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
Manual XrefsDatabases
34500891ChemSpider